BDBM27543 4-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methyl}-1,2-dihydrophthalazin-1-one::Piperazine analogue, 24

SMILES: Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCNCC1

InChI Key: InChIKey=MFFUYEOGICAKCK-UHFFFAOYSA-N

Data: 2 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 27543   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27543 (4-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]meth...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCNCC1 Show InChI InChI=1S/C20H19FN4O2/c21-17-6-5-13(11-16(17)20(27)25-9-7-22-8-10-25)12-18-14-3-1-2-4-15(14)19(26)24-23-18/h1-6,11,22H,7-10,12H2,(H,24,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly ADP-ribose onto histone proteins by colorimetric analysis in pre...				J Med Chem 57: 2292-302 (2014) Article DOI: 10.1021/jm401550d BindingDB Entry DOI: 10.7270/Q28917DV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27543 (4-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]meth...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCNCC1 Show InChI InChI=1S/C20H19FN4O2/c21-17-6-5-13(11-16(17)20(27)25-9-7-22-8-10-25)12-18-14-3-1-2-4-15(14)19(26)24-23-18/h1-6,11,22H,7-10,12H2,(H,24,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd.					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				J Med Chem 51: 6581-91 (2008) Article DOI: 10.1021/jm8001263 BindingDB Entry DOI: 10.7270/Q2BP014T
					More data for this Ligand-Target Pair